2017, Vol.20, No.2, pp.205-209
Accurate evaluation of electric dipole (E1) transition probabilities in exciplexes formed by an alkali atom (M) and rare gas (Rg) atom(s) is essential for modelling optically pumped M−Rg laser media. We present a simple finite-difference scheme of ab initio calculations of E1 transition moments in the RbAr exciplex in the frames of relativistic Fock space coupled cluster approach.
Key words: relativistic electronic structure modeling; excited states; multireference coupled cluster method; two-component pseudopotentials; spin–orbit interactions; electric dipole transition moments 1.
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